Geometry & MOs

Info

ID:	54334
PubChem CID:	17043832
Reduced:	N2O3C11H11 (2)
Stoich.:	A2B3C11D11 (2)
Weight, g/mol:	574.119002
ΔH_f, kcal/mol:	-90.05
Dipole, Da:	16.81
IP(EA), eV:	-8.76(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloropyridazin-3-yl)-4-[[(1Z)-1-[1-(4-methoxyphenyl)-5-oxo-3-phenylpyrazol-4-ylidene]ethyl]amino]benzenesulfonamide

Drug info:

PubChemData

Smile

C/C(=C/1\C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)OC)/NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations